5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide

C20H24ClN3O3S — CID 151082126

IUPAC5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1nc(N2CCCCC2)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C20H24ClN3O3S/c1-13-17(19(22-14(2)18(13)21)24-10-5-4-6-11-24)20(25)23-15-8-7-9-16(12-15)28(3,26)27/h7-9,12H,4-6,10-11H2,1-3H3,(H,23,25)
InChIKeyMKIRCWJMMPQTCJ-UHFFFAOYSA-N
MW421.95 g/mol
LogP4.00
Rot. Bonds4

About 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide

5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 151082126) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID151082126
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1nc(N2CCCCC2)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1Cl
InChIInChI=1S/C20H24ClN3O3S/c1-13-17(19(22-14(2)18(13)21)24-10-5-4-6-11-24)20(25)23-15-8-7-9-16(12-15)28(3,26)27/h7-9,12H,4-6,10-11H2,1-3H3,(H,23,25)
InChIKeyMKIRCWJMMPQTCJ-UHFFFAOYSA-N
XLogP4.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 150900428
3-(azepan-1-yl)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 176694240
1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 9071947
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
5-chloro-6-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169123723
4-(4,4-difluoroazepan-1-yl)-6-methyl-N-[3-(methylsulfonimidoyl)phenyl]-2-piperazin-1-ylpyrimidine-5-carboxamide
CID 169124695
5-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169124049
2-(4,4-difluoroazepan-1-yl)-N-(3-methylsulfonylphenyl)quinoline-3-carboxamide
CID 169263976
3-(4,4-difluoroazepan-1-yl)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 169124719
2,6-dichloro-N-(3-methylsulfonylphenyl)-4-thionitrosobenzamide
CID 129132112
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide (CID 151082126) is 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide is Cc1nc(N2CCCCC2)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is MKIRCWJMMPQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-13-17(19(22-14(2)18(13)21)24-10-5-4-6-11-24)20(25)23-15-8-7-9-16(12-15)28(3,26)27/h7-9,12H,4-6,10-11H2,1-3H3,(H,23,25).
What are the key properties of 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide?
5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 421.95 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 151082126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).